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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL561812
Molecular formula	C24H27N3O4
IUPAC name	3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N-methyl-N-propan-2-ylbenzamide
Molecular weight	421.497
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.4
Synonyms	BDBM50297735 SCHEMBL12086673 (R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enylamino)-2-hydroxy-N-isopropyl-N-methylbenzamide
Inchi Key	HJQGYKRAMBLSHY-QGZVFWFLSA-N
Inchi ID	InChI=1S/C24H27N3O4/c1-5-17(15-10-7-6-8-11-15)25-19-20(23(30)22(19)29)26-18-13-9-12-16(21(18)28)24(31)27(4)14(2)3/h6-14,17,25-26,28H,5H2,1-4H3/t17-/m1/s1
PubChem CID	10180509
ChEMBL	CHEMBL561812
IUPHAR	N/A
BindingDB	50297735
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
116673	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
116674	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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